N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H12ClFN2O3S2 — CID 60716075

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H12ClFN2O3S2/c1-7-11(20-12(17)15-7)21(18,19)16(2)6-8-9(13)4-3-5-10(8)14/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyHISNWONFHNTBGN-UHFFFAOYSA-N
MW350.82 g/mol
LogP2.36
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60716075) has the molecular formula C12H12ClFN2O3S2 and a molecular weight of 350.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60716075
Molecular FormulaC12H12ClFN2O3S2
Molecular Weight350.82 g/mol
Exact Mass350.00
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H12ClFN2O3S2/c1-7-11(20-12(17)15-7)21(18,19)16(2)6-8-9(13)4-3-5-10(8)14/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyHISNWONFHNTBGN-UHFFFAOYSA-N
XLogP2.36
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884371
N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60715980
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716028
N-[(4-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716086
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723815
N-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723951
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724035
N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724801
N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60727167
N-[(3,4-difluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60729638
N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984251
N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61519901

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60716075) is N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is HISNWONFHNTBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3S2/c1-7-11(20-12(17)15-7)21(18,19)16(2)6-8-9(13)4-3-5-10(8)14/h3-5H,6H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 350.82 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60716075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).